Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METLLSFEKVYKDYPSGPSIIHALKETNFEAKKGELIAIVGPSGSGKSTLLSLAGALLTPTGGTISINGKSVGNLSSKEQTALRLEEIGFIFQAAHLVPYLHVKDQISF----IGKMAGKSAAELEKDTASLLSQLGISDRANFYPKDLSGGQKQRVAIARALINQPSVILADEPTASLDTERSREVVELIRNEVVQTSRTAIMVTHDERMLDLV-NHVYRMEDGILTQES
4YMW Chain:J ((7-217))
---------VYKNFGS----LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINN--GKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVD---LLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMK-QLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEE-
General information:
TITO was launched using:
RESULT:
Template:
4YMW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109696 for 1601 contacts (-68.5/contact) +
2D Compatibility (PS) -22704 + (NN) -8919 + (LL) 1060
1D Compatibility (HY) -18800 + (ID) 4300
Total energy: -163359.0 ( -102.04 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_4YMW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMW-query.scw
PDB file :
Tito_Scwrl_4YMW.pdb
: